Chemical ID: 4565111

COc1c2ccccc2nc3c1cco3
Chemical ID:
4565111
Name [?]:
None
SMILES [?]:
COc1c2ccccc2nc3c1cco3
InChi [?]:
InChI=1/C12H9NO2/c1-14-11-8-4-2-3-5-10(8)13-12-9(11)6-7-15-12/h2-7H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,7,5,8,13,14,4,12,9,3,11,10,2,15/rA:15nCOCCCCCCCNCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;d3s11;s12;d13;s11s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:5.95585
Area:348.928
Solvation:-2.76735
Coulombic:-21.8944
Bond Count [?]
All:17
Single:11
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:199.205
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.81
LogP (Chemaxon):2.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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